CHEBI:185908 - 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside

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ChEBI Name 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
ChEBI ID CHEBI:185908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H28O10
Net Charge 0
Average Mass 512.511
Monoisotopic Mass 512.16825
InChI InChI=1S/C27H28O10/c1-12-19(29)21(31)22(32)26(34-12)36-25-20(30)18-16(28)11-17-15(9-10-27(2,3)37-17)24(18)35-23(25)13-5-7-14(33-4)8-6-13/h5-12,19,21-22,26,28-29,31-32H,1-4H3/t12?,19-,21?,22-,26-/m0/s1
InChIKey HFACBAJBHOSYOZ-YXGZRXAKSA-N
SMILES O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(OC)C=C5)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside (CHEBI:185908) is a flavonoids (CHEBI:72544)
6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside (CHEBI:185908) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
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24844762 ChemSpider
LMPK12112035 LIPID MAPS
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